Stability diagram for dense suspensions of model colloidal<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="normal">Al</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>particles in shear flow

Hecht, Martin; Harting, Jens; Herrmann, Hans J.

doi:10.1103/physreve.75.051404

Cited by 16 publications

(32 citation statements)

References 54 publications

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“…The resulting stability diagram of the suspension as a function of ionic strength and pH value is shown in Fig. 8 (plotted at zero shear) [76]. The pH controls the surface charge density which, in turn, affects the electrostatic interactions between the colloids.…”

Section: Colloidsmentioning

confidence: 99%

“…2.2.1), and the relaxation to the Boltzmann distribution is very slow. Because of its simplicity and efficiency, this monomer-solvent coupling has been used in many polymer [14,[71][72][73][74] and colloid simulations [15,16,75,76].…”

Section: Collisional Coupling To Embedded Particlesmentioning

confidence: 99%

“…In a series of papers, Hecht et al [16,76,100] used hybrid SRD-molecular dynamics simulations to investigate a technologically important colloidal system-Al 2 O 3 -particles of diameter 0.5µm (which is often used in ceramics) suspended in water-with additional colloid-colloid interactions. These colloids usually carry a charge which, by forming an electric double layer with ions in water, results in a screened electrostatic repulsion.…”

Section: Colloidsmentioning

confidence: 99%

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Multi-Particle Collision Dynamics: A Particle-Based Mesoscale Simulation Approach to the Hydrodynamics of Complex Fluids

Gompper

Ihle

Kroll

et al.

Advanced Computer Simulation Approaches for Soft Matter Sciences III

362

588

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In this review, we describe and analyze a mesoscale simulation method for fluid flow, which was introduced by Malevanets and Kapral in 1999, and is now called multi-particle collision dynamics (MPC) or stochastic rotation dynamics (SRD). The method consists of alternating streaming and collision steps in an ensemble of point particles. The multi-particle collisions are performed by grouping particles in collision cells, and mass, momentum, and energy are locally conserved. This simulation technique captures both full hydrodynamic interactions and thermal fluctuations. The first part of the review begins with a description of several widely used MPC algorithms and then discusses important features of the original SRD algorithm and frequently used variations. Two complementary approaches for deriving the hydrodynamic equations and evaluating the transport coefficients are reviewed. It is then shown how MPC algorithms can be generalized to model non-ideal fluids, and binary mixtures with a consolute point. The importance of angular-momentum conservation for systems like phase-separated liquids with different viscosities is discussed. The second part of the review describes a number of recent applications of MPC algorithms to study colloid and polymer dynamics, the behavior of vesicles and cells in hydrodynamic flows, and the dynamics of viscoelastic fluids.

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Section: Colloidsmentioning

confidence: 99%

Section: Collisional Coupling To Embedded Particlesmentioning

confidence: 99%

Section: Colloidsmentioning

confidence: 99%

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Multi-Particle Collision Dynamics: A Particle-Based Mesoscale Simulation Approach to the Hydrodynamics of Complex Fluids

Gompper

Ihle

Kroll

et al.

Advanced Computer Simulation Approaches for Soft Matter Sciences III

362

588

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“…Besides the cluster formation and the rheology presented here we have also measured correlations functions and structure factors [12].…”

Section: Simulating Sheared Claymentioning

confidence: 99%

“…The shear flow can either support cluster formation at low shear rates, or it can suppress cluster formation at high shear rates as we have shown in ref. [12]. We adjust the simulation parameters so that the simulation corresponds quantitatively to a real suspension with 35% volume concentration under shear.…”

Section: Simulating Sheared Claymentioning

confidence: 99%

Simulation of dense colloids

Herrmann¹,

Harting²,

Hecht³

et al. 2008

Braz. J. Phys.

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We present in this proceeding recent large scale simulations of dense colloids. On one hand we simulate model clay consisting of nanometric aluminum oxyde spheres in water using realistic effective electrostatic interactions and Van der Waals attractions, known as DLVO potentials and a combination of molecular dynamics (MD) and stochastic rotation dynamics (SRD). We find pronounced cluster formation and retrieve the shear softening of the viscosity in quantitative agreement with experiments. On the other hand we study the velocity probability distribution functions (PDF) of sheared hard-sphere colloids using a combination of MD with lattice Boltzmann and find strong deviations from a Maxwell-Boltzmann distribution. We find a Gaussian core and an exponential tail over more than six orders of magnitude of probability. The simulation data follow very well a simple theory. We show that the PDFs scale with shear rateγ as well as particle volume concentration φ, and kinematic viscosity ν.

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Structural Transitions in Colloidal Suspensions

Hecht¹,

Harting²

High Performance Computing in Science and Engineering `07

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Stability diagram for dense suspensions of model colloidalAl2O3particles in shear flow

Cited by 16 publications

References 54 publications

Multi-Particle Collision Dynamics: A Particle-Based Mesoscale Simulation Approach to the Hydrodynamics of Complex Fluids

Multi-Particle Collision Dynamics: A Particle-Based Mesoscale Simulation Approach to the Hydrodynamics of Complex Fluids

Simulation of dense colloids

Structural Transitions in Colloidal Suspensions

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